2-[[5-[[(4-ethoxyphenyl)amino]methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[[(4-ethoxyphenyl)amino]methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-ethoxyanilino)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-ethoxyanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-ethoxyanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(p-phenetidinomethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC#N

InChI

InChI=1S/C20H21N5OS/c1-3-26-18-10-6-16(7-11-18)22-14-19-23-24-20(27-13-12-21)25(19)17-8-4-15(2)5-9-17/h4-11,22H,3,13-14H2,1-2H3